SCHEMBL2224609

SCHEMBL2224609

Nc1ccccc1-c1cccc(N)c1N

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
HSD17B10 Q99714 3/20 0.52
CYP3A4 P08684 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALOX15 P16050 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
CD44 P16070 1/20 0.46
IDO1 P14902 4/20 0.43
PTPRC P08575 1/20 0.43
ADORA2A P29274 1/20 0.43
TSHR P16473 4/20 0.41
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
KEAP1 Q14145 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28448451 0.92 ALDH1A1 (0.58) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
SCHEMBL11654081 0.92 ALDH1A1 (0.77) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
SCHEMBL560128 0.91 ALDH1A1 (0.56) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL1645391 0.89 ALDH1A1 (0.55) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL4521251 0.88 ALDH1A1 (0.53) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
Methane SCHEMBL22720568 0.88 ALDH1A1 (0.53) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
SCHEMBL169281 0.85 ALDH1A1 (1.00) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
SCHEMBL31607672 0.85 ALDH1A1 (1.00) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
Ether SCHEMBL22471900 0.83 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
Ammonia Solution, Strong SCHEMBL21297045 0.82 ALDH1A1 (0.93) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853908-A2 ELECTROCHEMICAL DETECTION OF EXPLOSIVES IN AIR Medis El Ltd. (IL) 2007-11-14 EP claimed
US-7244345-B1 Electrochemical method and sensor for the detection of traces of explosives MEDIS TECHNOLOGIES LTD. (IL) 2007-07-17 US claimed
US-20070158212-A1 ELECTROCHEMICAL METHOD AND SENSOR FOR THE DETECTION OF TRACES OF EXPOLSIVES MEDIS TECHNOLOGIES LTD. 2007-07-12 US claimed
WO-2006090401-A2 ELECTROCHEMICAL DETECTION OF EXPLOSIVES IN AIR MEDIS EL LTD. (IL) 2006-08-31 WO claimed
US-20060193750-A1 Electrochemical detection of explosives in air MEDIS EL LTD. 2006-08-31 US claimed
EP-1692495-A2 ELECTROCHEMICAL METHOD AND SENSOR FOR THE DETECTION OF TRACE EXPLOSIVES Medis Technologies Ltd. (IL) 2006-08-23 EP claimed
WO-2005050157-A2 ELECTROCHEMICAL METHOD AND SENSOR FOR THE DETECTION OF TRACE EXPLOSIVES MEDIS TECHNOLOGIES LTD. (IL) 2005-06-02 WO claimed
CN-116348137-A Heterologous prime boost vaccine 勃林格殷格翰国际有限公司 2023-06-27 CN disclosed
WO-2021215280-A1 NOVEL DIAMINE, POLYMER, LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学株式会社 (JP) 2021-10-28 WO disclosed
EP-3493677-A1 AQUEOUS 2-(2,4-DICHLOROPHENYL)METHYL -4,4-DIMETHYL-3-ISOXAZOLIDINONE-BASED CAPSULE SUSPENSION CONCENTRATES Bayer CropScience Aktiengesellschaft (DE) 2019-06-12 EP disclosed
US-8703992-B2 Method for producing aromatic and heteroaromatic carboxylic acids, carboxylic acid esters and carboxylic acid amides BASF SE (DE) 2014-04-22 US disclosed
US-7999112-B2 Reusable transition metal complex catalyst useful for the preparation of high pure quality 3,3′-diaminobenzidine and its analogues and a process thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2011-08-16 US disclosed
US-20110172456-A1 Method for Producing Aromatic and Heteroaromatic Carboxylic Acids, Carboxylic Acid Esters and Carboxylic Acid Amides BASF SE (DE) 2011-07-14 US disclosed
WO-2005050157-A2 ELECTROCHEMICAL METHOD AND SENSOR FOR THE DETECTION OF TRACE EXPLOSIVES MEDIS TECHNOLOGIES LTD. (IL) 2005-06-02 WO disclosed
US-6835854-B1 Oxidation of 3,3'-dichloro 4,4'-diaminobiphenyl (DCB), ammonolysis of the resulting 3,3'-dichloro-4,4'-dinitrobiphenyl (DCDNB) and reduction of 3,3'-diamino-4,4'-dinitrobiphenyl and treating with an alkali COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-12-28 US disclosed
WO-1995006473-A2 MEDICAL USE OF POLYSULFONIC ACID COMPOUND NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1995-03-09 WO disclosed
CN-1015272-B Electrolytic preparation method and equipment of 3, 3 '-dichloro 4, 4' -diaminobenzidine WANG QINAN (CN) 1992-01-01 CN disclosed
US-4988791-A Diamine modified polyphosphazine polymers forming schiff bases for heat resistance, corrosion resistance and moisture resistance curable MARUZEN PETROCHEMICAL CO., LTD. (JP) 1991-01-29 US disclosed
US-4675437-A Cycloaliphatic triisocyanates BAYER AKTIENGESELLSCHAFT (DE) 1987-06-23 US disclosed
US-4362831-A A HINDERED AND HETEROCYCLIC AMINE WITH A THIOALKANOIC ACID AMIDE ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1982-12-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110172456-A1 Method for Producing Aromatic and Heteroaromatic Carboxylic Acids, Carboxylic Acid Esters and Carboxylic Acid Amides CBR3, HRH3, HRH4 ALDH1A1 2433/4885L3MBTL1 3322/4885HSD17B10 3150/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.